{4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride

• ChemBase ID: 268635
• Molecular Formular: C14H15ClFNO
• Molecular Mass: 267.7264032
• Monoisotopic Mass: 267.08262001
• SMILES: O(c1ccc(cc1)CN)Cc1cc(F)ccc1.Cl
• Canonical SMILES: NCc1ccc(cc1)OCc1cccc(c1)F.Cl
• InChI: InChI=1S/C14H14FNO.ClH/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;/h1-8H,9-10,16H2;1H
• InChIKey: CYPDLWIUOMSUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride
• IUPAC Traditional name: {4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride
• Synonyms: {4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride

Database IDs

• MDL Number: MFCD16622167
• PubChem SID: 164324545
• PubChem CID: 47003377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.17955188
• LogD (pH = 7.4): 0.75826764
• Log P: 2.808518
• Molar Refractivity: 65.8236 cm^3
• Polarizability: 25.447 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 2.924

Product Information

• Purity: 95%